:Crystallographic Information File
{{Short description|File format for crystallographic data}}
{{Infobox file format
| name = Crystallographic Information File
| extension = {{mono|.cif}}
| screenshot = CSD CIF KEWMEE.png
| mime = chemical/x-cif
| owner =
| creatorcode =
| developer = International Union of Crystallography (IUCr)
| genre = chemical file format
| container for =
| contained by =
| extended from = Self-defining Text Archive and Retrieval
| extended to = mmCIF
| url = {{URL|https://www.iucr.org/resources/cif}}
}}
Crystallographic Information File (CIF) is a standard text file format for representing crystallographic information, promulgated by the International Union of Crystallography (IUCr). CIF was developed by the IUCr Working Party on Crystallographic Information in an effort sponsored by the IUCr Commission on Crystallographic Data and the IUCr Commission on Journals. The file format was initially published by Hall, Allen, and Brown{{cite journal |vauthors=Hall SR, Allen FH, Brown ID |title=The Crystallographic Information File (CIF): a new standard archive file for crystallography |journal=Acta Crystallographica Section A|volume=47 |pages=655–685 |year=1991 |doi=10.1107/S010876739101067X |issue=6 |doi-access=free |bibcode=1991AcCrA..47..655H }} and has since been revised, most recently versions 1.1 and 2.0.{{cite journal |vauthors=Brown ID, McMahon B |title= CIF: the computer language of crystallography| url = http://journals.iucr.org/b/issues/2002/03/01/an0595/index.html|journal=Acta Crystallographica Section B: Structural Science |volume=58 |issue=Pt 3 Pt 1 |pages=317–24 |year=2002 |doi= 10.1107/s0108768102003464|pmid=12037350|url-access=subscription }} Full specifications for the format are available at the IUCr website. Many computer programs for molecular viewing are compatible with this format, including Jmol.
mmCIF
{{Main|Macromolecular Crystallographic Information File}}
Closely related is mmCIF, macromolecular CIF,{{cite book |last1=Bourne |first1=PE |last2=Berman |first2=HM |last3=McMahon |first3=B |last4=Watenpaugh |first4=KD |last5=Westbrook |first5=JD |last6=Fitzgerald |first6=PM |chapter=Macromolecular crystallographic information file |title=Macromolecular Crystallography Part B |series=Methods in Enzymology |date=1997 |volume=277 |pages=571–90 |doi=10.1016/s0076-6879(97)77032-0 |pmid=18488325 |isbn=978-0-12-182178-4 }} which is intended as an successor to the Protein Data Bank (PDB) format. It is now the default format used by the Protein Data Bank.{{cite journal |last1=Adams |first1=PD |last2=Afonine |first2=PV |last3=Baskaran |first3=K |last4=Berman |first4=HM |last5=Berrisford |first5=J |last6=Bricogne |first6=G |last7=Brown |first7=DG |last8=Burley |first8=SK |last9=Chen |first9=M |last10=Feng |first10=Z |last11=Flensburg |first11=C |last12=Gutmanas |first12=A |last13=Hoch |first13=JC |last14=Ikegawa |first14=Y |last15=Kengaku |first15=Y |last16=Krissinel |first16=E |last17=Kurisu |first17=G |last18=Liang |first18=Y |last19=Liebschner |first19=D |last20=Mak |first20=L |last21=Markley |first21=JL |last22=Moriarty |first22=NW |last23=Murshudov |first23=GN |last24=Noble |first24=M |last25=Peisach |first25=E |last26=Persikova |first26=I |last27=Poon |first27=BK |last28=Sobolev |first28=OV |last29=Ulrich |first29=EL |last30=Velankar |first30=S |last31=Vonrhein |first31=C |last32=Westbrook |first32=J |last33=Wojdyr |first33=M |last34=Yokochi |first34=M |last35=Young |first35=JY |title=Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB). |journal=Acta Crystallographica Section D |date=1 April 2019 |volume=75 |issue=Pt 4 |pages=451–454 |doi=10.1107/S2059798319004522 |pmid=30988261 |pmc=6465986 }}—{{Citation|last=Bichler|first=Martin|title=Grundlegende WWW-Techniken|date=1997|url=http://dx.doi.org/10.1007/978-3-322-86597-7_2|work=Aufbau unternehmensweiter WWW-Informationssysteme|pages=8–32|place=Wiesbaden|publisher=Vieweg+Teubner Verlag|doi=10.1007/978-3-322-86597-7_2 |isbn=978-3-322-86598-4 |access-date=2021-09-17|url-access=subscription}}
Also closely related is Crystallographic Information Framework, a broader system of exchange protocols based on data dictionaries and relational rules expressible in different machine-readable manifestations, including, but not restricted to, Crystallographic Information File and XML.
References
{{reflist}}
External links
- [https://www.iucr.org/ International Union of Crystallography]
{{Crystallography}}
Category:Chemical file formats